Content for NMR-STAR saveframe, "chemical_shift_set_2"

    save_chemical_shift_set_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_2
   _Assigned_chem_shift_list.Entry_ID                      7061
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      . . 1 $sample_1 . 7061 2 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 2 2 1 1 SER H    H  1   8.3700 . . . . . . . . . . . 7061 2 
        2 . 2 2 1 1 SER HA   H  1   5.3500 . . . . . . . . . . . 7061 2 
        3 . 2 2 1 1 SER HB2  H  1   3.5100 . . . . . . . . . . . 7061 2 
        4 . 2 2 1 1 SER HB3  H  1   3.7000 . . . . . . . . . . . 7061 2 
        5 . 2 2 1 1 SER CA   C 13  56.1200 . . . . . . . . . . . 7061 2 
        6 . 2 2 1 1 SER CB   C 13  65.2200 . . . . . . . . . . . 7061 2 
        7 . 2 2 1 1 SER N    N 15 122.9200 . . . . . . . . . . . 7061 2 
        8 . 2 2 2 2 TRP H    H  1   9.0000 . . . . . . . . . . . 7061 2 
        9 . 2 2 2 2 TRP HA   H  1   4.0000 . . . . . . . . . . . 7061 2 
       10 . 2 2 2 2 TRP HB2  H  1   3.2800 . . . . . . . . . . . 7061 2 
       11 . 2 2 2 2 TRP HB3  H  1   3.1800 . . . . . . . . . . . 7061 2 
       12 . 2 2 2 2 TRP HD1  H  1   7.2600 . . . . . . . . . . . 7061 2 
       13 . 2 2 2 2 TRP HE1  H  1  10.1200 . . . . . . . . . . . 7061 2 
       14 . 2 2 2 2 TRP HE3  H  1   7.1100 . . . . . . . . . . . 7061 2 
       15 . 2 2 2 2 TRP HZ2  H  1   7.4000 . . . . . . . . . . . 7061 2 
       16 . 2 2 2 2 TRP HZ3  H  1   7.5700 . . . . . . . . . . . 7061 2 
       17 . 2 2 2 2 TRP HH2  H  1   7.2200 . . . . . . . . . . . 7061 2 
       18 . 2 2 2 2 TRP CA   C 13  56.8300 . . . . . . . . . . . 7061 2 
       19 . 2 2 2 2 TRP CB   C 13  33.0800 . . . . . . . . . . . 7061 2 
       20 . 2 2 2 2 TRP CD1  C 13 126.5500 . . . . . . . . . . . 7061 2 
       21 . 2 2 2 2 TRP CE3  C 13 121.4200 . . . . . . . . . . . 7061 2 
       22 . 2 2 2 2 TRP CZ2  C 13 114.9100 . . . . . . . . . . . 7061 2 
       23 . 2 2 2 2 TRP CZ3  C 13 121.7600 . . . . . . . . . . . 7061 2 
       24 . 2 2 2 2 TRP CH2  C 13 124.6900 . . . . . . . . . . . 7061 2 
       25 . 2 2 2 2 TRP N    N 15 122.3000 . . . . . . . . . . . 7061 2 
       26 . 2 2 2 2 TRP NE1  N 15 129.1200 . . . . . . . . . . . 7061 2 
       27 . 2 2 3 3 VAL H    H  1   9.2600 . . . . . . . . . . . 7061 2 
       28 . 2 2 3 3 VAL HA   H  1   3.8800 . . . . . . . . . . . 7061 2 
       29 . 2 2 3 3 VAL HB   H  1   1.8700 . . . . . . . . . . . 7061 2 
       30 . 2 2 3 3 VAL HG11 H  1   0.7700 . . . . . . . . . . . 7061 2 
       31 . 2 2 3 3 VAL HG12 H  1   0.7700 . . . . . . . . . . . 7061 2 
       32 . 2 2 3 3 VAL HG13 H  1   0.7700 . . . . . . . . . . . 7061 2 
       33 . 2 2 3 3 VAL HG21 H  1   0.5200 . . . . . . . . . . . 7061 2 
       34 . 2 2 3 3 VAL HG22 H  1   0.5200 . . . . . . . . . . . 7061 2 
       35 . 2 2 3 3 VAL HG23 H  1   0.5200 . . . . . . . . . . . 7061 2 
       36 . 2 2 3 3 VAL CA   C 13  58.1100 . . . . . . . . . . . 7061 2 
       37 . 2 2 3 3 VAL CB   C 13  36.0500 . . . . . . . . . . . 7061 2 
       38 . 2 2 3 3 VAL CG1  C 13  17.8800 . . . . . . . . . . . 7061 2 
       39 . 2 2 3 3 VAL CG2  C 13  23.1500 . . . . . . . . . . . 7061 2 
       40 . 2 2 3 3 VAL N    N 15 117.0800 . . . . . . . . . . . 7061 2 
       41 . 2 2 4 4 PTR H    H  1   8.5800 . . . . . . . . . . . 7061 2 
       42 . 2 2 4 4 PTR HA   H  1   5.1700 . . . . . . . . . . . 7061 2 
       43 . 2 2 4 4 PTR HB2  H  1   3.1200 . . . . . . . . . . . 7061 2 
       44 . 2 2 4 4 PTR HB3  H  1   2.7800 . . . . . . . . . . . 7061 2 
       45 . 2 2 4 4 PTR HD1  H  1   6.0900 . . . . . . . . . . . 7061 2 
       46 . 2 2 4 4 PTR HD2  H  1   6.0900 . . . . . . . . . . . 7061 2 
       47 . 2 2 4 4 PTR HE1  H  1   5.8600 . . . . . . . . . . . 7061 2 
       48 . 2 2 4 4 PTR HE2  H  1   5.8600 . . . . . . . . . . . 7061 2 
       49 . 2 2 4 4 PTR CA   C 13  57.0400 . . . . . . . . . . . 7061 2 
       50 . 2 2 4 4 PTR CB   C 13  40.4100 . . . . . . . . . . . 7061 2 
       51 . 2 2 4 4 PTR CD1  C 13 132.1600 . . . . . . . . . . . 7061 2 
       52 . 2 2 4 4 PTR CD2  C 13 132.1600 . . . . . . . . . . . 7061 2 
       53 . 2 2 4 4 PTR CE1  C 13 117.9100 . . . . . . . . . . . 7061 2 
       54 . 2 2 4 4 PTR CE2  C 13 117.9100 . . . . . . . . . . . 7061 2 
       55 . 2 2 4 4 PTR N    N 15 123.4900 . . . . . . . . . . . 7061 2 
       56 . 2 2 5 5 SER H    H  1   7.8600 . . . . . . . . . . . 7061 2 
       57 . 2 2 5 5 SER HA   H  1   3.6000 . . . . . . . . . . . 7061 2 
       58 . 2 2 5 5 SER HB2  H  1   3.6000 . . . . . . . . . . . 7061 2 
       59 . 2 2 5 5 SER HB3  H  1   3.6000 . . . . . . . . . . . 7061 2 
       60 . 2 2 5 5 SER CA   C 13  56.1200 . . . . . . . . . . . 7061 2 
       61 . 2 2 5 5 SER CB   C 13  65.2200 . . . . . . . . . . . 7061 2 
       62 . 2 2 5 5 SER N    N 15 122.9200 . . . . . . . . . . . 7061 2 
       63 . 2 2 6 6 PRO HA   H  1   4.3500 . . . . . . . . . . . 7061 2 
       64 . 2 2 6 6 PRO HB2  H  1   1.8400 . . . . . . . . . . . 7061 2 
       65 . 2 2 6 6 PRO HB3  H  1   1.9500 . . . . . . . . . . . 7061 2 
       66 . 2 2 6 6 PRO HG2  H  1   2.2800 . . . . . . . . . . . 7061 2 
       67 . 2 2 6 6 PRO HG3  H  1   2.2800 . . . . . . . . . . . 7061 2 
       68 . 2 2 6 6 PRO HD2  H  1   3.5200 . . . . . . . . . . . 7061 2 
       69 . 2 2 6 6 PRO HD3  H  1   3.6300 . . . . . . . . . . . 7061 2 
       70 . 2 2 6 6 PRO CA   C 13  65.1300 . . . . . . . . . . . 7061 2 
       71 . 2 2 6 6 PRO CB   C 13  32.3200 . . . . . . . . . . . 7061 2 
       72 . 2 2 6 6 PRO CG   C 13  27.8900 . . . . . . . . . . . 7061 2 
       73 . 2 2 6 6 PRO CD   C 13  50.1000 . . . . . . . . . . . 7061 2 
       74 . 2 2 7 7 LEU H    H  1   8.3100 . . . . . . . . . . . 7061 2 
       75 . 2 2 7 7 LEU HA   H  1   4.1800 . . . . . . . . . . . 7061 2 
       76 . 2 2 7 7 LEU HB2  H  1   1.5300 . . . . . . . . . . . 7061 2 
       77 . 2 2 7 7 LEU HB3  H  1   1.4300 . . . . . . . . . . . 7061 2 
       78 . 2 2 7 7 LEU HG   H  1   1.4300 . . . . . . . . . . . 7061 2 
       79 . 2 2 7 7 LEU HD11 H  1   0.8500 . . . . . . . . . . . 7061 2 
       80 . 2 2 7 7 LEU HD12 H  1   0.8500 . . . . . . . . . . . 7061 2 
       81 . 2 2 7 7 LEU HD13 H  1   0.8500 . . . . . . . . . . . 7061 2 
       82 . 2 2 7 7 LEU HD21 H  1   0.7900 . . . . . . . . . . . 7061 2 
       83 . 2 2 7 7 LEU HD22 H  1   0.7900 . . . . . . . . . . . 7061 2 
       84 . 2 2 7 7 LEU HD23 H  1   0.7900 . . . . . . . . . . . 7061 2 
       85 . 2 2 7 7 LEU CA   C 13  57.9700 . . . . . . . . . . . 7061 2 
       86 . 2 2 7 7 LEU CB   C 13  42.1400 . . . . . . . . . . . 7061 2 
       87 . 2 2 7 7 LEU CG   C 13  26.6800 . . . . . . . . . . . 7061 2 
       88 . 2 2 7 7 LEU CD1  C 13  24.2100 . . . . . . . . . . . 7061 2 
       89 . 2 2 7 7 LEU CD2  C 13  21.6700 . . . . . . . . . . . 7061 2 
       90 . 2 2 7 7 LEU N    N 15 121.3500 . . . . . . . . . . . 7061 2 
       91 . 2 2 8 8 HIS H    H  1   8.2100 . . . . . . . . . . . 7061 2 
       92 . 2 2 8 8 HIS HA   H  1   4.6100 . . . . . . . . . . . 7061 2 
       93 . 2 2 8 8 HIS HB2  H  1   3.0800 . . . . . . . . . . . 7061 2 
       94 . 2 2 8 8 HIS HB3  H  1   3.2000 . . . . . . . . . . . 7061 2 
       95 . 2 2 8 8 HIS HD2  H  1   7.4600 . . . . . . . . . . . 7061 2 
       96 . 2 2 8 8 HIS HE1  H  1   7.1200 . . . . . . . . . . . 7061 2 
       97 . 2 2 8 8 HIS CA   C 13  55.2800 . . . . . . . . . . . 7061 2 
       98 . 2 2 8 8 HIS CB   C 13  29.7200 . . . . . . . . . . . 7061 2 
       99 . 2 2 8 8 HIS CD2  C 13 119.1000 . . . . . . . . . . . 7061 2 
      100 . 2 2 8 8 HIS CE1  C 13 136.6900 . . . . . . . . . . . 7061 2 
      101 . 2 2 8 8 HIS N    N 15 118.3000 . . . . . . . . . . . 7061 2 

   stop_

save_